3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole

C49H30F2N2OS — CID 163847508

IUPAC3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole
SMILESCC1(F)C=Cc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccc(F)cc8c7c6)ccc54)cc3c2C1
InChIInChI=1S/C49H30F2N2OS/c1-49(51)21-20-46-40(27-49)37-25-31(13-17-45(37)54-46)52-41-8-4-2-6-33(41)35-22-28(10-15-43(35)52)29-11-16-44-36(23-29)34-7-3-5-9-42(34)53(44)32-14-19-48-39(26-32)38-24-30(50)12-18-47(38)55-48/h2-26H,27H2,1H3
InChIKeyORLMJUFMTFSALI-UHFFFAOYSA-N
MW732.86 g/mol
LogP14.10
Rot. Bonds3

About 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole

3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole (PubChem CID 163847508) has the molecular formula C49H30F2N2OS and a molecular weight of 732.86 g/mol. Its IUPAC name is 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole
PubChem CID163847508
Molecular FormulaC49H30F2N2OS
Molecular Weight732.86 g/mol
Exact Mass732.20
IUPAC Name3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole
SMILESCC1(F)C=Cc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccc(F)cc8c7c6)ccc54)cc3c2C1
InChIInChI=1S/C49H30F2N2OS/c1-49(51)21-20-46-40(27-49)37-25-31(13-17-45(37)54-46)52-41-8-4-2-6-33(41)35-22-28(10-15-43(35)52)29-11-16-44-36(23-29)34-7-3-5-9-42(34)53(44)32-14-19-48-39(26-32)38-24-30(50)12-18-47(38)55-48/h2-26H,27H2,1H3
InChIKeyORLMJUFMTFSALI-UHFFFAOYSA-N
XLogP14.10
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.86
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
2-N-(4-fluorophenyl)-2-N,9-dimethyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenylcarbazole-2,7-diamine
CID 23593191
8,21-Difluoro-26-(4-methylphenyl)-13-oxa-5,18-dithia-26-azaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
CID 58340028
3-[9-(8-Fluorodibenzofuran-2-yl)carbazol-3-yl]-9-(8-fluorodibenzothiophen-2-yl)carbazole
CID 58511007
9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
N-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-carbazol-9-yl-N-(4-fluorophenyl)aniline
CID 66585365
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 68230409
3,6-Di(carbazol-9-yl)-9-(8-fluorodibenzofuran-2-yl)carbazole
CID 89505208
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-[8-(trifluoromethyl)dibenzofuran-2-yl]carbazol-3-yl]phenyl]aniline
CID 90321207
9-[8-[3-[3-[3-(3,5-Difluorophenyl)phenyl]phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 118438830
9-[8-[3-[3-(4-Fluorophenyl)phenyl]phenyl]dibenzofuran-2-yl]-3-phenylcarbazole
CID 118438836

Frequently Asked Questions

What is the IUPAC name of 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole?
The IUPAC name of 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole (CID 163847508) is 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole.
What is the SMILES notation for 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole?
The canonical SMILES for 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole is CC1(F)C=Cc2oc3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8ccc(F)cc8c7c6)ccc54)cc3c2C1.
What is the InChIKey of 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole?
The InChIKey is ORLMJUFMTFSALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30F2N2OS/c1-49(51)21-20-46-40(27-49)37-25-31(13-17-45(37)54-46)52-41-8-4-2-6-33(41)35-22-28(10-15-43(35)52)29-11-16-44-36(23-29)34-7-3-5-9-42(34)53(44)32-14-19-48-39(26-32)38-24-30(50)12-18-47(38)55-48/h2-26H,27H2,1H3.
What are the key properties of 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole?
3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole has a molecular weight of 732.86 g/mol, XLogP of 14.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(8-fluorodibenzothiophen-2-yl)carbazol-3-yl]-9-(8-fluoro-8-methyl-9H-dibenzofuran-2-yl)carbazole is sourced from PubChem (CID 163847508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).